#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fo5 s SER 1 N 0.00 6.20 -0.02 7.83 0.01 -1.26 -4.98 113.70 121.48 1fo5 s SER 1 Ca 0.00 2.59 -0.30 0.00 1.31 0.00 0.00 55.95 59.55 1fo5 s SER 1 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1fo5 s SER 1 CO 0.00 -0.92 1.27 -0.75 0.41 0.00 0.00 173.24 173.25 1fo5 s LYS 2 N -2.38 4.34 -0.34 12.44 2.20 -1.26 -4.97 119.74 129.77 1fo5 s LYS 2 Ca 0.59 1.79 -0.29 0.00 -0.36 0.00 0.00 55.97 57.70 1fo5 s LYS 2 Cb -0.36 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1fo5 s LYS 2 CO 0.46 -0.46 1.69 0.08 -0.36 0.00 0.00 175.35 176.76 1fo5 s VAL 3 N 2.08 3.60 0.13 4.02 1.01 0.81 -4.91 120.40 127.13 1fo5 s VAL 3 Ca 0.59 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.05 1fo5 s VAL 3 Cb -0.28 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1fo5 s VAL 3 CO 0.25 -0.49 0.52 -0.54 0.00 0.00 0.00 175.10 174.83 1fo5 s LYS 4 N 5.40 3.94 -0.01 2.72 -0.14 -0.53 -1.09 119.74 130.03 1fo5 s LYS 4 Ca 0.75 0.43 0.02 0.00 -1.36 0.00 0.00 55.97 55.80 1fo5 s LYS 4 Cb -0.20 -2.96 -0.00 0.00 -1.68 0.00 0.00 37.83 32.99 1fo5 s LYS 4 CO 0.33 0.50 -0.06 0.42 -0.76 0.00 0.00 175.35 175.78 1fo5 s ILE 5 N -1.43 0.53 -0.06 2.17 1.09 0.54 -0.40 121.20 123.63 1fo5 s ILE 5 Ca 0.36 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.69 1fo5 s ILE 5 Cb -0.15 -0.46 0.00 0.00 -1.06 0.00 0.00 42.46 40.79 1fo5 s ILE 5 CO 0.19 0.16 -0.18 -1.61 -0.10 0.00 0.00 174.94 173.40 1fo5 s GLU 6 N -0.01 2.11 -0.55 2.79 2.02 -0.68 -1.08 118.70 123.30 1fo5 s GLU 6 Ca 0.01 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.34 1fo5 s GLU 6 Cb -0.04 -1.74 0.14 0.00 0.10 0.00 0.00 34.13 32.59 1fo5 s GLU 6 CO -0.00 0.20 0.34 -1.17 0.02 0.00 0.00 175.26 174.64 1fo5 s LEU 7 N 0.22 4.95 -0.37 1.80 1.98 0.13 -0.88 118.68 126.51 1fo5 s LEU 7 Ca -0.09 -2.76 -0.03 0.00 -2.89 0.00 0.00 54.13 48.35 1fo5 s LEU 7 Cb -0.14 -1.78 0.08 0.00 0.66 0.00 0.00 46.19 45.02 1fo5 s LEU 7 CO 0.04 -0.35 0.14 0.12 -1.89 0.00 0.00 176.35 174.41 1fo5 s PHE 8 N 0.07 3.45 -0.07 5.38 2.19 -0.50 -1.44 117.98 127.06 1fo5 s PHE 8 Ca 0.16 -2.09 -0.32 0.00 0.33 0.00 0.00 56.93 55.00 1fo5 s PHE 8 Cb -0.22 -2.81 0.14 0.00 -1.31 0.00 0.00 43.02 38.82 1fo5 s PHE 8 CO -0.03 -0.89 1.39 -0.08 1.83 0.00 0.00 175.22 177.44 1fo5 s THR 9 N 1.22 0.00 -0.34 0.12 -1.32 -1.26 -0.62 115.64 113.44 1fo5 s THR 9 Ca 0.03 -0.07 0.07 0.00 -1.21 0.00 0.00 61.69 60.51 1fo5 s THR 9 Cb -0.22 -2.09 0.28 0.00 -1.51 0.00 0.00 72.50 68.96 1fo5 s THR 9 CO -0.02 0.00 1.25 -0.24 -2.21 0.00 0.00 174.62 173.40 1fo5 n SER 10 N -0.55 -1.50 0.15 8.08 2.88 -1.26 -1.52 113.62 119.90 1fo5 n SER 10 Ca -0.08 -2.10 -0.06 0.00 -1.33 0.00 0.00 58.87 55.29 1fo5 n SER 10 Cb 0.63 0.89 -0.03 0.00 -0.75 0.00 0.00 64.21 64.95 1fo5 n SER 10 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1fo5 h PRO 11 N 1.47 -0.39 0.00 -1.46 0.13 -1.96 -3.48 132.00 126.32 1fo5 h PRO 11 Ca -0.37 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1fo5 h PRO 11 Cb 1.26 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1fo5 h PRO 11 CO -0.12 -0.26 0.00 -0.12 -0.23 0.00 0.00 178.00 177.27 1fo5 n MET 12 N -3.66 0.00 -0.16 0.86 1.56 -1.26 -5.12 117.12 109.34 1fo5 n MET 12 Ca -0.05 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.40 1fo5 n MET 12 Cb 0.16 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.52 1fo5 n MET 12 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1fo5 n PRO 14 N -1.37 0.39 0.00 0.00 -0.04 -1.26 -4.88 135.00 127.83 1fo5 n PRO 14 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fo5 n PRO 14 Cb 0.07 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1fo5 n PRO 14 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fo5 n HIS 15 N -0.87 0.00 -0.04 0.54 8.25 -1.14 -4.76 115.22 117.20 1fo5 n HIS 15 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 1fo5 n HIS 15 Cb 0.03 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1fo5 n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fo5 s PRO 17 N -6.19 2.98 0.00 0.00 0.04 -1.26 -4.06 135.00 126.51 1fo5 s PRO 17 Ca -0.13 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1fo5 s PRO 17 Cb 0.10 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1fo5 s PRO 17 CO 0.69 -2.97 0.00 0.00 0.04 0.00 0.00 177.00 174.76 1fo5 n ALA 18 N 11.97 0.00 0.01 8.56 0.00 -1.26 -4.81 120.51 134.99 1fo5 n ALA 18 Ca 0.39 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.03 1fo5 n ALA 18 Cb 0.48 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.64 1fo5 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fo5 h ALA 19 N 1.81 2.44 0.03 0.00 0.00 -1.89 -1.73 119.26 119.93 1fo5 h ALA 19 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fo5 h ALA 19 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1fo5 h ALA 19 CO 0.00 -0.64 -0.12 -0.22 0.00 0.00 0.00 179.25 178.27 1fo5 h LYS 20 N 0.00 -0.17 -0.64 0.00 1.63 -1.92 0.54 116.57 116.01 1fo5 h LYS 20 Ca 0.24 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.97 1fo5 h LYS 20 Cb 1.00 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 1fo5 h LYS 20 CO -0.00 -0.11 0.09 0.00 -3.45 0.00 0.00 179.45 175.97 1fo5 h ARG 21 N -0.18 1.06 -0.47 1.90 3.08 -1.74 -1.74 114.38 116.29 1fo5 h ARG 21 Ca -0.00 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 1fo5 h ARG 21 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1fo5 h ARG 21 CO -0.06 0.98 0.09 0.28 -1.07 0.00 0.00 179.97 180.18 1fo5 h VAL 22 N 0.99 1.25 -0.66 2.04 2.07 -1.30 1.00 116.25 121.63 1fo5 h VAL 22 Ca 0.19 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1fo5 h VAL 22 Cb 0.45 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1fo5 h VAL 22 CO 0.01 0.32 0.11 1.62 0.02 0.00 0.00 177.57 179.65 1fo5 h VAL 23 N 0.65 1.26 -0.52 2.57 3.04 -0.77 -1.86 116.25 120.62 1fo5 h VAL 23 Ca 0.14 -1.02 0.04 0.00 -1.01 0.00 0.00 66.70 64.85 1fo5 h VAL 23 Cb 0.38 0.63 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 1fo5 h VAL 23 CO 0.01 0.38 0.29 -0.08 -1.01 0.00 0.00 177.57 177.16 1fo5 h GLU 24 N 1.01 0.55 0.85 4.17 4.81 -0.82 0.20 114.58 125.35 1fo5 h GLU 24 Ca 0.20 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1fo5 h GLU 24 Cb 0.43 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1fo5 h GLU 24 CO 0.01 0.36 -0.47 1.49 -0.73 0.00 0.00 179.01 179.67 1fo5 h GLU 25 N 0.56 -1.18 -0.04 1.92 4.57 -0.46 -1.45 114.58 118.50 1fo5 h GLU 25 Ca 0.22 0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 58.31 1fo5 h GLU 25 Cb 0.09 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1fo5 h GLU 25 CO -0.13 -0.78 -0.73 -0.24 -1.18 0.00 0.00 179.01 175.94 1fo5 h VAL 26 N -1.22 1.42 0.00 0.32 3.04 -1.30 -3.03 116.25 115.48 1fo5 h VAL 26 Ca -0.11 -2.24 -0.03 0.00 -1.01 0.00 0.00 66.70 63.31 1fo5 h VAL 26 Cb 0.96 2.19 -0.00 0.00 -2.01 0.00 0.00 31.29 32.43 1fo5 h VAL 26 CO 0.14 0.66 -0.13 0.00 -1.01 0.00 0.00 177.57 177.24 1fo5 h ALA 27 N 1.06 1.64 0.00 3.17 0.00 -0.57 0.30 119.26 124.86 1fo5 h ALA 27 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fo5 h ALA 27 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1fo5 h ALA 27 CO 0.11 0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.61 1fo5 n ASN 28 N -4.17 0.37 0.00 0.00 3.02 -0.55 -2.84 115.26 111.09 1fo5 n ASN 28 Ca -0.02 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 1fo5 n ASN 28 Cb 0.21 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1fo5 n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1fo5 n GLU 29 N -1.99 4.55 -3.38 3.52 -0.58 -0.12 -4.91 120.64 117.73 1fo5 n GLU 29 Ca -0.01 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 1fo5 n GLU 29 Cb 0.04 -0.62 -0.10 0.00 -0.57 0.00 0.00 31.44 30.20 1fo5 n GLU 29 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1fo5 n MET 30 N -0.36 0.38 0.00 3.49 2.81 0.88 -5.05 117.12 119.27 1fo5 n MET 30 Ca 0.00 -3.27 0.00 0.00 -1.81 0.00 0.00 57.70 52.62 1fo5 n MET 30 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1fo5 n MET 30 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1fo5 n PRO 31 N 2.54 0.54 0.00 0.03 -0.04 -1.13 -2.88 135.00 134.07 1fo5 n PRO 31 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1fo5 n PRO 31 Cb 0.48 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1fo5 n PRO 31 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fo5 n ASP 32 N 0.49 0.00 0.00 3.54 2.03 -1.26 -4.87 116.55 116.48 1fo5 n ASP 32 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1fo5 n ASP 32 Cb 0.21 0.03 0.44 0.00 -0.72 0.00 0.00 41.12 41.07 1fo5 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fo5 n ALA 33 N -1.38 2.34 -1.99 -1.67 0.00 -1.24 -4.77 120.51 111.80 1fo5 n ALA 33 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 1fo5 n ALA 33 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 1fo5 n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fo5 s VAL 34 N -2.00 3.86 -0.09 0.00 0.11 -1.14 -0.13 120.40 121.01 1fo5 s VAL 34 Ca 0.22 1.68 0.01 0.00 -2.93 0.00 0.00 61.98 60.96 1fo5 s VAL 34 Cb 0.10 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.90 1fo5 s VAL 34 CO 0.17 0.32 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.45 1fo5 s GLU 35 N -0.62 1.71 -0.30 1.54 2.56 -0.25 -4.91 118.70 118.43 1fo5 s GLU 35 Ca 0.47 -0.37 0.01 0.00 0.00 0.00 0.00 54.97 55.08 1fo5 s GLU 35 Cb -0.29 -1.55 0.09 0.00 2.00 0.00 0.00 34.13 34.38 1fo5 s GLU 35 CO 0.35 -0.10 0.05 0.08 -0.56 0.00 0.00 175.26 175.08 1fo5 s VAL 36 N 1.12 1.38 -0.11 3.70 1.01 -1.26 -0.34 120.40 125.90 1fo5 s VAL 36 Ca -0.06 -1.59 -0.18 0.00 0.00 0.00 0.00 61.98 60.15 1fo5 s VAL 36 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1fo5 s VAL 36 CO -0.02 -0.52 0.47 -1.61 0.00 0.00 0.00 175.10 173.42 1fo5 s GLU 37 N 1.38 4.32 -0.37 2.72 2.02 -0.24 -5.00 118.70 123.53 1fo5 s GLU 37 Ca 0.07 0.44 -0.03 0.00 0.02 0.00 0.00 54.97 55.46 1fo5 s GLU 37 Cb -0.18 -3.42 0.08 0.00 0.10 0.00 0.00 34.13 30.71 1fo5 s GLU 37 CO -0.16 0.19 0.13 -0.47 0.02 0.00 0.00 175.26 174.98 1fo5 s TYR 38 N 0.51 3.43 -0.54 1.61 5.04 -1.26 -0.69 117.35 125.44 1fo5 s TYR 38 Ca 0.25 -2.07 0.07 0.00 -2.44 0.00 0.00 57.07 52.88 1fo5 s TYR 38 Cb -0.15 -2.74 0.28 0.00 0.35 0.00 0.00 41.96 39.69 1fo5 s TYR 38 CO 0.10 -0.88 0.73 0.44 -1.34 0.00 0.00 175.55 174.60 1fo5 n ILE 39 N 4.65 1.53 -1.73 3.14 -0.00 -0.52 -4.98 119.36 121.45 1fo5 n ILE 39 Ca -0.07 -4.94 -0.40 0.00 -0.00 0.00 0.00 62.75 57.34 1fo5 n ILE 39 Cb 0.42 -1.77 0.03 0.00 -0.00 0.00 0.00 39.64 38.33 1fo5 n ILE 39 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1fo5 n ASN 40 N 0.72 2.81 -4.77 7.28 6.94 -1.25 -4.06 115.26 122.94 1fo5 n ASN 40 Ca 0.28 1.06 -0.40 0.00 -0.02 0.00 0.00 54.58 55.49 1fo5 n ASN 40 Cb 0.46 -1.56 0.00 0.00 -2.36 0.00 0.00 39.78 36.32 1fo5 n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1fo5 s VAL 41 N -1.24 2.25 0.00 3.53 1.01 -0.58 -4.68 120.40 120.70 1fo5 s VAL 41 Ca 0.65 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1fo5 s VAL 41 Cb -0.45 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1fo5 s VAL 41 CO 0.54 0.04 0.00 0.80 0.00 0.00 0.00 175.10 176.49 1fo5 n MET 42 N 0.12 0.00 0.00 2.72 0.00 -1.26 -4.64 117.12 114.07 1fo5 n MET 42 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.85 1fo5 n MET 42 Cb 0.42 0.00 0.56 0.00 0.00 0.00 0.00 33.22 34.20 1fo5 n MET 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1fo5 n GLU 43 N -1.57 0.09 -4.07 2.12 4.07 -1.26 -4.94 120.64 115.08 1fo5 n GLU 43 Ca 0.00 0.06 -0.35 0.00 -0.06 0.00 0.00 57.16 56.82 1fo5 n GLU 43 Cb 0.00 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 29.86 1fo5 n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1fo5 n ASN 44 N -1.45 -1.80 -4.80 4.31 5.15 -1.26 -4.90 115.26 110.50 1fo5 n ASN 44 Ca 0.08 -1.18 -0.34 0.00 -0.60 0.00 0.00 54.58 52.53 1fo5 n ASN 44 Cb 0.27 -2.23 -0.02 0.00 -0.53 0.00 0.00 39.78 37.28 1fo5 n ASN 44 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1fo5 s PRO 45 N -7.00 3.63 0.16 1.20 0.04 -1.26 -4.93 135.00 126.84 1fo5 s PRO 45 Ca 0.22 1.32 0.15 0.00 0.04 0.00 0.00 61.00 62.73 1fo5 s PRO 45 Cb -0.11 -2.07 0.70 0.00 0.04 0.00 0.00 34.50 33.06 1fo5 s PRO 45 CO 0.95 -0.57 1.45 1.04 0.04 0.00 0.00 177.00 179.91 1fo5 n GLN 46 N -1.31 0.09 -0.32 4.56 6.02 -1.26 -3.50 117.38 121.65 1fo5 n GLN 46 Ca 0.09 0.48 0.19 0.00 -0.01 0.00 0.00 57.00 57.76 1fo5 n GLN 46 Cb 0.53 -1.73 0.45 0.00 1.02 0.00 0.00 30.24 30.50 1fo5 n GLN 46 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1fo5 h LYS 47 N 0.00 0.50 0.08 -1.09 5.09 -2.02 0.58 116.57 119.71 1fo5 h LYS 47 Ca 0.00 -0.03 -0.36 0.00 0.09 0.00 0.00 60.65 60.35 1fo5 h LYS 47 Cb 0.12 -0.11 -0.03 0.00 0.10 0.00 0.00 32.23 32.31 1fo5 h LYS 47 CO 0.00 0.33 -2.03 0.00 -2.09 0.00 0.00 179.45 175.66 1fo5 n ALA 48 N -2.42 1.10 0.29 0.07 0.00 -1.23 -4.60 120.51 113.72 1fo5 n ALA 48 Ca 0.24 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 53.03 1fo5 n ALA 48 Cb 0.76 -0.61 0.32 0.00 0.00 0.00 0.00 19.45 19.92 1fo5 n ALA 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1fo5 n MET 49 N -3.34 0.07 0.31 0.00 2.81 0.01 -1.83 117.12 115.15 1fo5 n MET 49 Ca -0.31 0.42 0.18 0.00 -1.81 0.00 0.00 57.70 56.18 1fo5 n MET 49 Cb 1.05 -1.66 1.03 0.00 -0.71 0.00 0.00 33.22 32.92 1fo5 n MET 49 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1fo5 h GLU 50 N 0.00 0.00 -7.12 0.03 4.11 -1.29 -3.44 114.58 106.88 1fo5 h GLU 50 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 1fo5 h GLU 50 Cb 0.17 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.53 1fo5 h GLU 50 CO 0.00 0.01 0.44 0.71 0.07 0.00 0.00 179.01 180.24 1fo5 s TYR 51 N -4.37 2.47 0.24 2.06 2.02 -0.76 -4.93 117.35 114.08 1fo5 s TYR 51 Ca -0.05 1.54 -0.06 0.00 -0.37 0.00 0.00 57.07 58.13 1fo5 s TYR 51 Cb 0.14 -3.38 0.42 0.00 -0.40 0.00 0.00 41.96 38.74 1fo5 s TYR 51 CO 0.49 -1.99 1.69 0.78 -1.57 0.00 0.00 175.55 174.96 1fo5 h GLY 52 N 0.75 0.98 -6.69 0.71 0.00 -1.91 -2.10 103.07 94.81 1fo5 h GLY 52 Ca -0.50 -0.05 -0.60 0.00 0.00 0.00 0.00 47.33 46.19 1fo5 h GLY 52 CO 0.55 -0.17 -0.82 -1.50 0.00 0.00 0.00 176.54 174.60 1fo5 s ILE 53 N -6.06 1.10 0.44 2.60 2.07 -1.26 -4.96 121.20 115.12 1fo5 s ILE 53 Ca -0.13 -2.85 0.17 0.00 -1.41 0.00 0.00 60.65 56.43 1fo5 s ILE 53 Cb 0.20 -1.75 0.36 0.00 0.13 0.00 0.00 42.46 41.41 1fo5 s ILE 53 CO 0.75 -1.08 1.92 0.00 -1.91 0.00 0.00 174.94 174.62 1fo5 h MET 54 N 6.02 0.36 0.00 3.50 -0.00 -1.66 -3.46 114.93 119.70 1fo5 h MET 54 Ca 0.15 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 1fo5 h MET 54 Cb 0.89 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1fo5 h MET 54 CO 0.46 0.24 0.00 0.00 -0.00 0.00 0.00 176.91 177.61 1fo5 n ALA 55 N -2.53 0.00 -3.64 -3.00 0.00 -1.26 -4.28 120.51 105.80 1fo5 n ALA 55 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1fo5 n ALA 55 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1fo5 n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fo5 s VAL 56 N 0.00 0.00 -0.16 0.00 1.01 -1.26 -4.78 120.40 115.21 1fo5 s VAL 56 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1fo5 s VAL 56 Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1fo5 s VAL 56 CO 0.00 0.00 1.37 -2.16 0.00 0.00 0.00 175.10 174.31 1fo5 s PRO 57 N -2.08 4.17 -0.77 2.72 0.04 -1.26 -4.99 135.00 132.83 1fo5 s PRO 57 Ca 0.12 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 1fo5 s PRO 57 Cb -0.01 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.73 1fo5 s PRO 57 CO -0.03 -0.81 1.28 0.99 0.04 0.00 0.00 177.00 178.48 1fo5 s THR 58 N 3.79 3.77 0.12 1.26 2.01 0.20 -4.48 115.64 122.32 1fo5 s THR 58 Ca 0.60 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.90 1fo5 s THR 58 Cb -0.24 -4.92 -0.04 0.00 0.01 0.00 0.00 72.50 67.31 1fo5 s THR 58 CO 0.19 -1.85 0.00 -0.63 -0.69 0.00 0.00 174.62 171.65 1fo5 s ILE 59 N 5.58 3.91 -0.00 1.82 -1.09 -0.60 -1.41 121.20 129.41 1fo5 s ILE 59 Ca 0.36 -1.15 0.08 0.00 -2.23 0.00 0.00 60.65 57.70 1fo5 s ILE 59 Cb -0.08 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1fo5 s ILE 59 CO 0.12 0.03 -0.24 0.68 -1.23 0.00 0.00 174.94 174.30 1fo5 s VAL 60 N -1.46 1.94 0.02 2.92 -7.23 -0.06 -0.98 120.40 115.55 1fo5 s VAL 60 Ca 0.26 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 1fo5 s VAL 60 Cb -0.11 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1fo5 s VAL 60 CO 0.18 0.49 -0.07 0.27 -0.31 0.00 0.00 175.10 175.67 1fo5 s ILE 61 N -0.62 0.49 0.00 -0.62 -4.36 -0.02 -1.68 121.20 114.38 1fo5 s ILE 61 Ca 0.10 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 1fo5 s ILE 61 Cb -0.09 -0.50 0.00 0.00 1.25 0.00 0.00 42.46 43.11 1fo5 s ILE 61 CO -0.00 -0.17 0.00 -3.20 0.24 0.00 0.00 174.94 171.80 1fo5 n ASN 62 N 2.09 0.00 0.00 4.36 2.85 0.47 -0.93 115.26 124.10 1fo5 n ASN 62 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1fo5 n ASN 62 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 1fo5 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fo5 n GLY 63 N 0.00 0.78 3.90 8.20 0.00 -1.25 -1.46 105.19 115.36 1fo5 n GLY 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1fo5 n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fo5 s ASP 64 N 0.00 6.46 -0.16 1.61 2.15 -0.10 -4.99 116.67 121.64 1fo5 s ASP 64 Ca 0.00 0.76 -0.06 0.00 0.43 0.00 0.00 52.55 53.68 1fo5 s ASP 64 Cb 0.00 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 1fo5 s ASP 64 CO 0.00 -0.21 0.04 0.68 -0.17 0.00 0.00 175.17 175.51 1fo5 s VAL 65 N -2.10 4.57 -0.13 1.11 -7.23 -1.26 -0.84 120.40 114.52 1fo5 s VAL 65 Ca 0.45 -0.12 -0.34 0.00 -1.81 0.00 0.00 61.98 60.16 1fo5 s VAL 65 Cb -0.11 -3.02 0.14 0.00 0.56 0.00 0.00 36.38 33.95 1fo5 s VAL 65 CO 0.30 0.50 1.37 -0.70 -0.31 0.00 0.00 175.10 176.26 1fo5 s GLU 66 N 0.13 0.13 -0.29 4.82 2.12 -0.16 -5.00 118.70 120.46 1fo5 s GLU 66 Ca 0.03 -0.07 -0.14 0.00 0.36 0.00 0.00 54.97 55.16 1fo5 s GLU 66 Cb -0.13 0.05 0.11 0.00 0.26 0.00 0.00 34.13 34.43 1fo5 s GLU 66 CO 0.01 -0.06 0.74 -0.59 -0.54 0.00 0.00 175.26 174.82 1fo5 s PHE 67 N -2.15 -1.07 -0.19 5.30 -0.71 -1.26 -1.56 117.98 116.34 1fo5 s PHE 67 Ca 0.14 2.00 -0.05 0.00 -1.04 0.00 0.00 56.93 57.98 1fo5 s PHE 67 Cb 0.05 0.64 0.07 0.00 -1.21 0.00 0.00 43.02 42.57 1fo5 s PHE 67 CO -0.05 -0.53 0.13 0.42 -1.34 0.00 0.00 175.22 173.85 1fo5 s ILE 68 N 2.10 -0.16 0.00 -4.49 1.01 -1.26 -5.01 121.20 113.40 1fo5 s ILE 68 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1fo5 s ILE 68 Cb -0.07 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1fo5 s ILE 68 CO -0.19 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.07 1fo5 n GLY 69 N 5.29 -0.68 0.10 6.18 0.00 -1.26 -3.86 105.19 110.95 1fo5 n GLY 69 Ca -0.06 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 1fo5 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fo5 h ALA 70 N 0.00 0.65 -3.06 4.61 0.00 -1.99 -3.44 119.26 116.04 1fo5 h ALA 70 Ca 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 54.91 53.46 1fo5 h ALA 70 Cb 0.00 0.51 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1fo5 h ALA 70 CO 0.00 1.49 0.02 -0.35 0.00 0.00 0.00 179.25 180.41 1fo5 n PRO 71 N -3.19 -0.84 -0.17 0.00 -0.04 -1.26 -4.75 135.00 124.75 1fo5 n PRO 71 Ca -0.20 -0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 62.88 1fo5 n PRO 71 Cb 1.05 -0.15 0.18 0.00 -0.04 0.00 0.00 33.50 34.54 1fo5 n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1fo5 n THR 72 N -2.55 0.00 -0.02 0.52 -2.24 -1.26 -4.73 114.28 104.00 1fo5 n THR 72 Ca 0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1fo5 n THR 72 Cb 0.06 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1fo5 n THR 72 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1fo5 n LYS 73 N -4.37 0.60 -0.26 -0.78 4.81 -1.26 -4.61 118.16 112.29 1fo5 n LYS 73 Ca 0.09 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.59 1fo5 n LYS 73 Cb 0.38 -1.20 0.19 0.00 0.02 0.00 0.00 35.03 34.42 1fo5 n LYS 73 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1fo5 h GLU 74 N 1.77 0.36 -0.60 1.64 5.08 -1.87 0.90 114.58 121.86 1fo5 h GLU 74 Ca 0.00 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1fo5 h GLU 74 Cb 0.60 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1fo5 h GLU 74 CO 0.00 0.24 0.14 0.00 -1.00 0.00 0.00 179.01 178.39 1fo5 h ALA 75 N 1.58 0.72 0.00 3.43 0.00 -1.82 -0.63 119.26 122.54 1fo5 h ALA 75 Ca 0.42 0.12 -0.20 0.00 0.00 0.00 0.00 54.91 55.25 1fo5 h ALA 75 Cb 0.69 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1fo5 h ALA 75 CO -0.45 -0.29 -1.52 -0.11 0.00 0.00 0.00 179.25 176.87 1fo5 n LEU 76 N -5.11 0.83 -0.33 0.00 -0.00 -0.28 -3.87 117.00 108.24 1fo5 n LEU 76 Ca 0.09 0.38 -0.04 0.00 -0.00 0.00 0.00 56.01 56.43 1fo5 n LEU 76 Cb 0.32 0.11 0.09 0.00 -0.00 0.00 0.00 43.42 43.93 1fo5 n LEU 76 CO 0.18 0.22 1.16 0.58 -0.00 0.00 0.00 177.39 179.52 1fo5 h VAL 77 N 0.00 1.26 0.00 1.96 2.07 -0.57 0.98 116.25 121.95 1fo5 h VAL 77 Ca -0.20 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1fo5 h VAL 77 Cb 1.71 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1fo5 h VAL 77 CO 0.05 0.30 0.00 1.21 0.02 0.00 0.00 177.57 179.15 1fo5 n GLU 78 N -4.32 0.12 -0.10 1.57 2.13 -0.27 -1.48 120.64 118.29 1fo5 n GLU 78 Ca 0.09 0.62 -0.23 0.00 0.66 0.00 0.00 57.16 58.30 1fo5 n GLU 78 Cb 0.11 -1.88 -0.12 0.00 0.27 0.00 0.00 31.44 29.82 1fo5 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fo5 n ALA 79 N -1.73 1.15 0.06 4.31 0.00 0.12 -4.42 120.51 120.00 1fo5 n ALA 79 Ca -0.01 -0.90 0.17 0.00 0.00 0.00 0.00 53.44 52.70 1fo5 n ALA 79 Cb 0.03 -0.22 0.68 0.00 0.00 0.00 0.00 19.45 19.93 1fo5 n ALA 79 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1fo5 h ILE 80 N -0.45 0.80 0.12 0.00 3.07 0.20 0.24 117.51 121.50 1fo5 h ILE 80 Ca -0.55 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1fo5 h ILE 80 Cb 1.75 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 39.07 1fo5 h ILE 80 CO -0.17 0.00 -0.30 0.07 -1.05 0.00 0.00 178.15 176.69 1fo5 h LYS 81 N 0.00 -0.45 0.62 0.16 2.10 -1.59 -3.33 116.57 114.07 1fo5 h LYS 81 Ca 0.19 0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.84 1fo5 h LYS 81 Cb 0.76 0.10 0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1fo5 h LYS 81 CO -0.00 -0.30 -0.30 1.57 -2.00 0.00 0.00 179.45 178.42 1fo5 h LYS 82 N -0.47 -0.80 -0.94 0.07 5.09 -0.85 -3.45 116.57 115.23 1fo5 h LYS 82 Ca -0.01 0.05 0.05 0.00 0.09 0.00 0.00 60.65 60.83 1fo5 h LYS 82 Cb 0.45 0.18 -0.21 0.00 0.10 0.00 0.00 32.23 32.76 1fo5 h LYS 82 CO -0.14 -0.52 -0.34 1.03 -2.09 0.00 0.00 179.45 177.39 1fo5 s ARG 83 N -4.31 0.53 0.00 0.07 3.00 0.14 -5.13 118.95 113.25 1fo5 s ARG 83 Ca -0.12 0.58 0.00 0.00 0.00 0.00 0.00 55.73 56.18 1fo5 s ARG 83 Cb 0.01 0.27 0.00 0.00 0.00 0.00 0.00 34.95 35.24 1fo5 s ARG 83 CO 0.38 -0.94 0.00 1.47 0.00 0.00 0.00 175.30 176.21